Information card for entry 2218975

Structure parameters

• Chemical name: Benzo[<i>a</i>]fluoren-11-one
• Formula: C17 H10 O
• Calculated formula: C17 H10 O
• SMILES: O=C1c2ccccc2c2ccc3ccccc3c12
• Title of publication: Benzo[<i>a</i>]fluoren-11-one
• Authors of publication: Sun, Di; Luo, Geng-Geng; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1468
• a: 9.3852 ± 0.0004 Å
• b: 7.1165 ± 0.0003 Å
• c: 16.8809 ± 0.0007 Å
• α: 90°
• β: 99.278 ± 0.005°
• γ: 90°
• Cell volume: 1112.72 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes